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Name | C-C chemokine receptor type 2 |
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Species | Homo sapiens (Human) |
Gene | CCR2 |
Synonym | MCP-1-R Monocyte chemoattractant protein 1 receptor CKR2 MCP-1 receptor chemokine receptor CCR2 [ Show all ] |
Disease | Chronic obstructive pulmonary disease Neuropathic pain Multiple scierosis Metastatic cancer; Multiple scierosis Inflammatory disease [ Show all ] |
Length | 374 |
Amino acid sequence | MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA |
UniProt | P41597 |
Protein Data Bank | 6gpx, 6gps |
GPCR-HGmod model | P41597 |
3D structure model | This structure is from PDB ID 6gpx. |
BioLiP | BL0437328,BL0437329, BL0437327, BL0437326, BL0437325 |
Therapeutic Target Database | T89988 |
ChEMBL | CHEMBL4015 |
IUPHAR | 59 |
DrugBank | N/A |
Name | CHEMBL495202 |
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Molecular formula | C24H32F6N2O2 |
IUPAC name | (1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentane-1-carboxamide |
Molecular weight | 494.522 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | BDBM50315028 cis-(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide (1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-((3S,4S)-3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide |
Inchi Key | AWFVUZFXTNVVQX-DZUANBCISA-N |
Inchi ID | InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15-,19-,20+,22+/m1/s1 |
PubChem CID | 25256791 |
ChEMBL | CHEMBL495202 |
IUPHAR | N/A |
BindingDB | 50315028 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 100.0 nM | PMID20223662 | BindingDB,ChEMBL |
IC50 | 1200.0 nM | PMID20223662 | BindingDB,ChEMBL |
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